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Polarizable Atomic Multipole Solutes in a Generalized Kirkwood Continuum

The generalized Born (GB) model of continuum electrostatics is an analytic approximation to the Poisson equation useful for predicting the electrostatic component of the solvation free energy for solutes ranging in size from small organic molecules to large macromolecular complexes. This work presen...

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Bibliographic Details
Published in:J Chem Theory Comput
Main Authors: Schnieders, Michael J., Ponder, Jay W.
Format: Artigo
Language:Inglês
Published: 2007
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC4767294/
https://ncbi.nlm.nih.gov/pubmed/26636202
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct7001336
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